SCHEMBL8005902

SCHEMBL8005902

O=C(CO)ON1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CHKA P35790 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5874131 0.84 CA2 (0.37) CA2CA12CA1CA9CHKA
SCHEMBL5008157 0.84 CA2 (0.37) CA2CA12CA1CA9CHKA
SCHEMBL22779182 0.84
SCHEMBL1681598 0.81 SIGMAR1 (0.37) CA2CA12CA1CA9CHKA
SCHEMBL5874522 0.81 CA2 (0.34) CA2CA12CA1CA9CHKA
SCHEMBL5875158 0.81 TSHR (0.34) CA2CA12CA1CA9CHKA
SCHEMBL1642959 0.81 GNAI3 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL27888271 0.80 CAMK2A (0.32) CA2CA12CA1CA9CHKA
SCHEMBL30598762 0.80 CHRNB2 (0.33) CA2CA12CA1CA9CHKA
SCHEMBL8581907 0.79 GNAI3 (0.40) CA2CA12CA1CA9CHKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114570-A IMPROVING THE STORABILITY OF A LATENT IMAGE AND AN EMULSIONS FUJI PHOTO FILM CO., LTD. (JP) 2000-09-05 US disclosed
US-4371668-A CARBOXYLIC ACID AMINE SALTS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-02-01 US disclosed
US-4322319-A Rubber composition containing crosslinkable processing aid JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1982-03-30 US disclosed
US-4281085-A USING AN AMINE SALT OF A CARBOXYLIC ACID AS CROSSLINKING AGENT JAPAN SYNTHETIC RUBBER COMPANY, LTD. (JP) 1981-07-28 US disclosed